2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide

C14H19N3O3S2 — CID 56789233

IUPAC2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESCCCS(=O)(=O)C(C)C(=O)Nc1ccnn1Cc1ccsc1
InChIInChI=1S/C14H19N3O3S2/c1-3-8-22(19,20)11(2)14(18)16-13-4-6-15-17(13)9-12-5-7-21-10-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyXKWAMFQGPRKSLT-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.14
Rot. Bonds7

About 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide

2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 56789233) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID56789233
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESCCCS(=O)(=O)C(C)C(=O)Nc1ccnn1Cc1ccsc1
InChIInChI=1S/C14H19N3O3S2/c1-3-8-22(19,20)11(2)14(18)16-13-4-6-15-17(13)9-12-5-7-21-10-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyXKWAMFQGPRKSLT-UHFFFAOYSA-N
XLogP2.14
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide
CID 95142746
N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 38995471
(E)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51198965
N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75541037
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
(2S)-2-benzylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 99841181
2-chloro-4-nitro-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]benzamide
CID 17404591
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-thiophen-3-ylacetamide
CID 18096280
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide
CID 44546085
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 43033842

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide (CID 56789233) is 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide is CCCS(=O)(=O)C(C)C(=O)Nc1ccnn1Cc1ccsc1.
What is the InChIKey of 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is XKWAMFQGPRKSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-3-8-22(19,20)11(2)14(18)16-13-4-6-15-17(13)9-12-5-7-21-10-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide?
2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 341.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 56789233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).